Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)CCCN1c1cncc2cccc(F)c12 |
MW: | 354.09 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 4.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-50cce87d-5
0.803
MIC-UNK-50cce87d-10
0.756
MIC-UNK-50cce87d-11
0.720
MIC-UNK-50cce87d-12
0.714
PET-UNK-c9c1e0d8-3
0.631
MIC-UNK-50cce87d-6
0.595
MIC-UNK-50cce87d-8
0.573
MIC-UNK-50cce87d-7
0.568
EDG-MED-5d232de5-7
0.517
EDG-MED-5d232de5-8
0.517
GIA-UNK-80c9bc96-1
0.517
PET-UNK-c9c1e0d8-4
0.517
ALP-POS-ce760d3f-8
0.457
ALP-POS-e0fe77e5-1
0.452
ALP-UNI-3735e77e-1
0.452
PET-UNK-fcd64629-1
0.440
PET-UNK-7b413b46-1
0.438
PET-UNK-7b413b46-5
0.438
EDJ-MED-e66f2cc5-1
0.433
PET-UNK-7b413b46-7
0.424
PET-UNK-7b413b46-3
0.424
PET-UNK-689df078-1
0.423
VLA-UCB-1dbca3b4-10
0.423
PET-UNK-3e354a91-1
0.414
ALP-POS-e0fe77e5-2
0.412
VLA-UCB-1dbca3b4-6
0.411
PET-UNK-7b413b46-6
0.411
PET-UNK-7b413b46-2
0.411
MIC-UNK-0a05c952-2
0.402
BEN-DND-d1eb1f41-15
0.394
PET-UNK-7a31b064-1
0.386
PET-UNK-5ddd54c7-2
0.386
PET-UNK-abc197b8-1
0.380
VLA-UCB-1dbca3b4-18
0.380
ALP-POS-e0fe77e5-3
0.379
ALP-UNI-58319883-1
0.375
PET-UNK-7a31b064-2
0.375
PET-UNK-7b413b46-8
0.373
PET-UNK-7b413b46-4
0.373
BEN-DND-d1eb1f41-7
0.370
MAT-POS-24589f88-14
0.370
MIC-UNK-0a05c952-1
0.365
MIC-UNK-d854bf4c-3
0.364
DAR-DIA-f6ee7aeb-1
0.363
ALP-UNI-58319883-2
0.363
PET-UNK-431b3bfb-1
0.363
PET-UNK-4dc48bbe-6
0.354
VLA-UCB-1dbca3b4-17
0.354
VLA-UCB-eb340134-3
0.352
MIC-UNK-d854bf4c-7
0.348
MIC-UNK-9582b2c5-1
0.345
VLA-UNK-db5e3064-2
0.340
MIC-UNK-d854bf4c-1
0.339
PET-UNK-7be94445-1
0.337
ALP-POS-bb8a3193-5
0.336
VLA-UCB-1dbca3b4-4
0.333
VLA-UCB-eb340134-1
0.333
PET-UNK-689df078-3
0.333
PET-UNK-689df078-4
0.330
MIC-UNK-67d4a29a-2
0.330
RUB-POS-1325a9ea-2
0.330
MIC-UNK-50cce87d-1
0.330
EDJ-MED-28b38b9b-2
0.328
ALP-UNI-dbb9503d-2
0.327
MIC-UNK-d854bf4c-5
0.325
PET-UNK-194f9da3-1
0.324
PET-UNK-689df078-2
0.324
VLA-UNK-db5e3064-1
0.324
PET-UNK-4dc48bbe-1
0.323
ALP-POS-bb8a3193-9
0.323
PET-UNK-5ddd54c7-1
0.321
UNK-UNK-2ede4078-35
0.318
PET-UNK-7a31b064-3
0.317
MAT-POS-b4d6b7fc-6
0.317
MAT-POS-1d5ab790-2
0.317
PET-UNK-7be94445-2
0.316
DAR-DIA-f6ee7aeb-6
0.316
VLA-UCB-1dbca3b4-12
0.316
BEN-DND-a7517465-5
0.315
ALP-UNI-dbb9503d-1
0.314
PET-UNK-7a31b064-5
0.313
PET-UNK-eda34f30-1
0.313
ALP-POS-df536be7-4
0.313
MAT-POS-8695a11f-3
0.311
MAT-POS-8695a11f-1
0.311
MAT-POS-d8472c4f-1
0.311
PET-UNK-194f9da3-2
0.309
EDJ-MED-96f6b92c-1
0.308
PET-UNK-7a31b064-4
0.308
PET-UNK-7a31b064-6
0.307
MAT-POS-853c0ffa-1
0.306
MAT-POS-1d5ab790-3
0.306
EDJ-MED-28b38b9b-1
0.306
BEN-DND-d1eb1f41-8
0.306
VLA-UCB-53bdeed6-1
0.303
BEN-DND-d1eb1f41-9
0.303
EDJ-MED-28b38b9b-3
0.303
MIC-UNK-9582b2c5-3
0.302
DAR-DIA-fc970077-7
0.301
MAT-POS-853c0ffa-17
0.301